USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 MET CE :methyl -142:sc= -0.394 (180deg=-2.16!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -3.96 X(o=-4,f=-4.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 97:sc= 1.08 USER MOD Single : A 46 MET CE :methyl -130:sc= -3.18 (180deg=-7.64!) USER MOD Single : A 48 MET CE :methyl 176:sc= 0 (180deg=-0.0205) USER MOD Single : A 51 GLN : amide:sc=-0.00351 K(o=-0.0035,f=-1.7!) USER MOD Single : A 52 ASN : amide:sc= -0.69 K(o=-0.69,f=-0.016) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -1.68! USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 81 MET CE :methyl 145:sc= -5.58! (180deg=-7.81!) USER MOD Single : A 82 MET CE :methyl 142:sc= -0.395 (180deg=-1.78!) USER MOD Single : A 85 GLN : amide:sc= -0.863 K(o=-0.86,f=-3.5) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 -13.458 -6.458 -3.996 1.00 0.00 N ATOM 25 CA MET A 3 -12.929 -7.462 -3.030 1.00 0.00 C ATOM 26 C MET A 3 -13.316 -8.867 -3.496 1.00 0.00 C ATOM 27 O MET A 3 -13.572 -9.747 -2.699 1.00 0.00 O ATOM 28 CB MET A 3 -13.526 -7.200 -1.646 1.00 0.00 C ATOM 29 CG MET A 3 -12.511 -7.591 -0.571 1.00 0.00 C ATOM 30 SD MET A 3 -12.731 -6.528 0.877 1.00 0.00 S ATOM 31 CE MET A 3 -12.276 -4.967 0.083 1.00 0.00 C ATOM 0 HA MET A 3 -11.843 -7.382 -2.978 1.00 0.00 H new ATOM 0 HB2 MET A 3 -13.791 -6.147 -1.546 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.444 -7.773 -1.520 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.644 -8.636 -0.292 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.497 -7.491 -0.959 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.705 -4.356 0.782 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.670 -5.171 -0.800 1.00 0.00 H new ATOM 0 HE3 MET A 3 -13.179 -4.432 -0.212 1.00 0.00 H new ATOM 41 N THR A 4 -13.362 -9.083 -4.783 1.00 0.00 N ATOM 42 CA THR A 4 -13.736 -10.431 -5.300 1.00 0.00 C ATOM 43 C THR A 4 -12.477 -11.307 -5.401 1.00 0.00 C ATOM 44 O THR A 4 -11.977 -11.792 -4.406 1.00 0.00 O ATOM 45 CB THR A 4 -14.403 -10.282 -6.673 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.391 -11.535 -7.345 1.00 0.00 O ATOM 47 CG2 THR A 4 -13.650 -9.239 -7.503 1.00 0.00 C ATOM 0 H THR A 4 -13.157 -8.385 -5.498 1.00 0.00 H new ATOM 0 HA THR A 4 -14.440 -10.909 -4.619 1.00 0.00 H new ATOM 0 HB THR A 4 -15.434 -9.954 -6.541 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.819 -11.440 -8.222 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.127 -9.136 -8.478 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.670 -8.279 -6.986 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.616 -9.558 -7.637 1.00 0.00 H new ATOM 55 N ASP A 5 -11.956 -11.518 -6.583 1.00 0.00 N ATOM 56 CA ASP A 5 -10.734 -12.360 -6.715 1.00 0.00 C ATOM 57 C ASP A 5 -9.492 -11.472 -6.612 1.00 0.00 C ATOM 58 O ASP A 5 -8.412 -11.934 -6.300 1.00 0.00 O ATOM 59 CB ASP A 5 -10.746 -13.065 -8.074 1.00 0.00 C ATOM 60 CG ASP A 5 -10.016 -14.405 -7.962 1.00 0.00 C ATOM 61 OD1 ASP A 5 -8.798 -14.390 -7.892 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.687 -15.423 -7.952 1.00 0.00 O ATOM 0 H ASP A 5 -12.324 -11.144 -7.458 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.716 -13.105 -5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.773 -13.225 -8.403 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.264 -12.438 -8.825 1.00 0.00 H new ATOM 67 N GLN A 6 -9.637 -10.202 -6.874 1.00 0.00 N ATOM 68 CA GLN A 6 -8.464 -9.286 -6.789 1.00 0.00 C ATOM 69 C GLN A 6 -7.917 -9.302 -5.362 1.00 0.00 C ATOM 70 O GLN A 6 -6.779 -9.657 -5.125 1.00 0.00 O ATOM 71 CB GLN A 6 -8.896 -7.864 -7.153 1.00 0.00 C ATOM 72 CG GLN A 6 -7.833 -7.219 -8.043 1.00 0.00 C ATOM 73 CD GLN A 6 -8.477 -6.120 -8.890 1.00 0.00 C ATOM 74 OE1 GLN A 6 -8.642 -6.276 -10.084 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.849 -5.008 -8.319 1.00 0.00 N ATOM 0 H GLN A 6 -10.516 -9.759 -7.143 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.691 -9.617 -7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.855 -7.885 -7.671 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.036 -7.272 -6.248 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.035 -6.800 -7.430 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.378 -7.971 -8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.710 -4.878 -7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.279 -4.268 -8.875 1.00 0.00 H new ATOM 84 N GLN A 7 -8.720 -8.924 -4.406 1.00 0.00 N ATOM 85 CA GLN A 7 -8.248 -8.922 -2.995 1.00 0.00 C ATOM 86 C GLN A 7 -7.993 -10.361 -2.545 1.00 0.00 C ATOM 87 O GLN A 7 -7.128 -10.623 -1.733 1.00 0.00 O ATOM 88 CB GLN A 7 -9.316 -8.291 -2.098 1.00 0.00 C ATOM 89 CG GLN A 7 -8.919 -6.850 -1.768 1.00 0.00 C ATOM 90 CD GLN A 7 -8.656 -6.083 -3.065 1.00 0.00 C ATOM 91 OE1 GLN A 7 -7.734 -5.294 -3.141 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.432 -6.280 -4.095 1.00 0.00 N ATOM 0 H GLN A 7 -9.683 -8.616 -4.542 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.326 -8.346 -2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.283 -8.307 -2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.423 -8.869 -1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.712 -6.364 -1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.027 -6.842 -1.141 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.206 -6.942 -4.032 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.265 -5.772 -4.964 1.00 0.00 H new ATOM 101 N ALA A 8 -8.739 -11.295 -3.067 1.00 0.00 N ATOM 102 CA ALA A 8 -8.534 -12.716 -2.668 1.00 0.00 C ATOM 103 C ALA A 8 -7.147 -13.174 -3.120 1.00 0.00 C ATOM 104 O ALA A 8 -6.543 -14.045 -2.525 1.00 0.00 O ATOM 105 CB ALA A 8 -9.601 -13.594 -3.326 1.00 0.00 C ATOM 0 H ALA A 8 -9.479 -11.137 -3.750 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.613 -12.804 -1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.449 -14.633 -3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.590 -13.267 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.525 -13.508 -4.410 1.00 0.00 H new ATOM 111 N GLU A 9 -6.636 -12.593 -4.170 1.00 0.00 N ATOM 112 CA GLU A 9 -5.287 -12.992 -4.661 1.00 0.00 C ATOM 113 C GLU A 9 -4.217 -12.446 -3.713 1.00 0.00 C ATOM 114 O GLU A 9 -3.236 -13.103 -3.425 1.00 0.00 O ATOM 115 CB GLU A 9 -5.067 -12.417 -6.062 1.00 0.00 C ATOM 116 CG GLU A 9 -4.767 -13.554 -7.040 1.00 0.00 C ATOM 117 CD GLU A 9 -3.571 -13.173 -7.913 1.00 0.00 C ATOM 118 OE1 GLU A 9 -2.801 -12.327 -7.491 1.00 0.00 O ATOM 119 OE2 GLU A 9 -3.446 -13.733 -8.990 1.00 0.00 O ATOM 0 H GLU A 9 -7.094 -11.859 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.219 -14.079 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.953 -11.870 -6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.240 -11.707 -6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.553 -14.472 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.639 -13.751 -7.664 1.00 0.00 H new ATOM 126 N ALA A 10 -4.394 -11.247 -3.228 1.00 0.00 N ATOM 127 CA ALA A 10 -3.383 -10.662 -2.303 1.00 0.00 C ATOM 128 C ALA A 10 -3.556 -11.263 -0.906 1.00 0.00 C ATOM 129 O ALA A 10 -2.660 -11.217 -0.086 1.00 0.00 O ATOM 130 CB ALA A 10 -3.574 -9.147 -2.233 1.00 0.00 C ATOM 0 H ALA A 10 -5.194 -10.648 -3.432 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.382 -10.887 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.835 -8.718 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.448 -8.718 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.575 -8.923 -1.865 1.00 0.00 H new ATOM 136 N ARG A 11 -4.699 -11.827 -0.629 1.00 0.00 N ATOM 137 CA ARG A 11 -4.921 -12.431 0.715 1.00 0.00 C ATOM 138 C ARG A 11 -4.399 -13.868 0.716 1.00 0.00 C ATOM 139 O ARG A 11 -4.092 -14.427 1.750 1.00 0.00 O ATOM 140 CB ARG A 11 -6.418 -12.431 1.035 1.00 0.00 C ATOM 141 CG ARG A 11 -6.805 -11.097 1.677 1.00 0.00 C ATOM 142 CD ARG A 11 -7.060 -11.302 3.172 1.00 0.00 C ATOM 143 NE ARG A 11 -7.703 -10.083 3.738 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.977 -10.020 5.013 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.078 -11.115 5.715 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.152 -8.860 5.585 1.00 0.00 N ATOM 0 H ARG A 11 -5.487 -11.896 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.390 -11.849 1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.995 -12.589 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.656 -13.253 1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.009 -10.367 1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.698 -10.696 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.701 -12.170 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.121 -11.504 3.688 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.929 -9.297 3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.943 -12.022 5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.292 -11.064 6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.075 -8.004 5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.366 -8.810 6.581 1.00 0.00 H new ATOM 160 N ALA A 12 -4.297 -14.471 -0.437 1.00 0.00 N ATOM 161 CA ALA A 12 -3.793 -15.873 -0.502 1.00 0.00 C ATOM 162 C ALA A 12 -2.275 -15.880 -0.306 1.00 0.00 C ATOM 163 O ALA A 12 -1.759 -16.528 0.583 1.00 0.00 O ATOM 164 CB ALA A 12 -4.136 -16.475 -1.867 1.00 0.00 C ATOM 0 H ALA A 12 -4.540 -14.055 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.262 -16.465 0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.768 -17.500 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.217 -16.471 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.667 -15.884 -2.654 1.00 0.00 H new ATOM 170 N PHE A 13 -1.557 -15.166 -1.129 1.00 0.00 N ATOM 171 CA PHE A 13 -0.073 -15.134 -0.989 1.00 0.00 C ATOM 172 C PHE A 13 0.301 -14.570 0.384 1.00 0.00 C ATOM 173 O PHE A 13 1.280 -14.969 0.983 1.00 0.00 O ATOM 174 CB PHE A 13 0.524 -14.250 -2.087 1.00 0.00 C ATOM 175 CG PHE A 13 2.028 -14.394 -2.090 1.00 0.00 C ATOM 176 CD1 PHE A 13 2.626 -15.481 -2.737 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.824 -13.440 -1.443 1.00 0.00 C ATOM 178 CE1 PHE A 13 4.019 -15.614 -2.741 1.00 0.00 C ATOM 179 CE2 PHE A 13 4.217 -13.573 -1.447 1.00 0.00 C ATOM 180 CZ PHE A 13 4.816 -14.661 -2.095 1.00 0.00 C ATOM 0 H PHE A 13 -1.933 -14.604 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 13 0.322 -16.146 -1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.119 -14.535 -3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.248 -13.209 -1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.012 -16.218 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.363 -12.602 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.480 -16.452 -3.243 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.831 -12.836 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.891 -14.765 -2.096 1.00 0.00 H new ATOM 190 N LEU A 14 -0.470 -13.645 0.888 1.00 0.00 N ATOM 191 CA LEU A 14 -0.158 -13.058 2.222 1.00 0.00 C ATOM 192 C LEU A 14 -0.841 -13.881 3.316 1.00 0.00 C ATOM 193 O LEU A 14 -1.886 -13.517 3.817 1.00 0.00 O ATOM 194 CB LEU A 14 -0.671 -11.618 2.283 1.00 0.00 C ATOM 195 CG LEU A 14 -0.105 -10.818 1.110 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.709 -9.412 1.115 1.00 0.00 C ATOM 197 CD2 LEU A 14 1.417 -10.717 1.246 1.00 0.00 C ATOM 0 H LEU A 14 -1.303 -13.270 0.433 1.00 0.00 H new ATOM 0 HA LEU A 14 0.921 -13.068 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.760 -11.608 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.377 -11.157 3.226 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.354 -11.320 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.306 -8.840 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.793 -9.481 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.459 -8.912 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.820 -10.146 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.666 -10.215 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.850 -11.717 1.245 1.00 0.00 H new ATOM 209 N SER A 15 -0.261 -14.987 3.692 1.00 0.00 N ATOM 210 CA SER A 15 -0.883 -15.829 4.753 1.00 0.00 C ATOM 211 C SER A 15 -1.345 -14.937 5.906 1.00 0.00 C ATOM 212 O SER A 15 -0.956 -13.790 6.013 1.00 0.00 O ATOM 213 CB SER A 15 0.144 -16.837 5.272 1.00 0.00 C ATOM 214 OG SER A 15 -0.422 -18.141 5.244 1.00 0.00 O ATOM 0 H SER A 15 0.615 -15.344 3.311 1.00 0.00 H new ATOM 0 HA SER A 15 -1.739 -16.361 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.044 -16.805 4.658 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.442 -16.579 6.288 1.00 0.00 H new ATOM 0 HG SER A 15 0.234 -18.790 5.574 1.00 0.00 H new ATOM 220 N GLU A 16 -2.175 -15.453 6.773 1.00 0.00 N ATOM 221 CA GLU A 16 -2.662 -14.634 7.919 1.00 0.00 C ATOM 222 C GLU A 16 -1.478 -14.240 8.804 1.00 0.00 C ATOM 223 O GLU A 16 -1.524 -13.260 9.521 1.00 0.00 O ATOM 224 CB GLU A 16 -3.660 -15.452 8.742 1.00 0.00 C ATOM 225 CG GLU A 16 -3.970 -14.716 10.047 1.00 0.00 C ATOM 226 CD GLU A 16 -3.303 -15.444 11.215 1.00 0.00 C ATOM 227 OE1 GLU A 16 -2.101 -15.645 11.152 1.00 0.00 O ATOM 228 OE2 GLU A 16 -4.004 -15.788 12.152 1.00 0.00 O ATOM 0 H GLU A 16 -2.536 -16.406 6.736 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.150 -13.735 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.577 -15.607 8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.248 -16.438 8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.610 -13.689 9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.048 -14.668 10.203 1.00 0.00 H new ATOM 235 N GLU A 17 -0.416 -14.998 8.759 1.00 0.00 N ATOM 236 CA GLU A 17 0.772 -14.670 9.597 1.00 0.00 C ATOM 237 C GLU A 17 1.392 -13.357 9.113 1.00 0.00 C ATOM 238 O GLU A 17 1.810 -12.530 9.898 1.00 0.00 O ATOM 239 CB GLU A 17 1.804 -15.795 9.480 1.00 0.00 C ATOM 240 CG GLU A 17 1.466 -16.907 10.475 1.00 0.00 C ATOM 241 CD GLU A 17 2.018 -16.541 11.854 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.394 -15.395 12.035 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.059 -17.414 12.705 1.00 0.00 O ATOM 0 H GLU A 17 -0.320 -15.831 8.178 1.00 0.00 H new ATOM 0 HA GLU A 17 0.465 -14.564 10.637 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.811 -16.191 8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.803 -15.407 9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.386 -17.046 10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.893 -17.852 10.140 1.00 0.00 H new ATOM 250 N MET A 18 1.454 -13.160 7.825 1.00 0.00 N ATOM 251 CA MET A 18 2.050 -11.900 7.290 1.00 0.00 C ATOM 252 C MET A 18 1.248 -10.699 7.794 1.00 0.00 C ATOM 253 O MET A 18 1.762 -9.843 8.486 1.00 0.00 O ATOM 254 CB MET A 18 2.016 -11.929 5.761 1.00 0.00 C ATOM 255 CG MET A 18 3.169 -11.086 5.211 1.00 0.00 C ATOM 256 SD MET A 18 4.739 -11.927 5.530 1.00 0.00 S ATOM 257 CE MET A 18 5.761 -10.919 4.429 1.00 0.00 C ATOM 0 H MET A 18 1.118 -13.815 7.119 1.00 0.00 H new ATOM 0 HA MET A 18 3.082 -11.815 7.630 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.099 -12.955 5.404 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.063 -11.542 5.400 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.040 -10.929 4.140 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.170 -10.102 5.680 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.793 -11.269 4.468 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.388 -11.003 3.408 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.719 -9.877 4.746 1.00 0.00 H new ATOM 267 N ILE A 19 -0.010 -10.626 7.450 1.00 0.00 N ATOM 268 CA ILE A 19 -0.845 -9.478 7.905 1.00 0.00 C ATOM 269 C ILE A 19 -0.815 -9.395 9.433 1.00 0.00 C ATOM 270 O ILE A 19 -1.115 -8.371 10.013 1.00 0.00 O ATOM 271 CB ILE A 19 -2.287 -9.683 7.439 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.293 -10.158 5.984 1.00 0.00 C ATOM 273 CG2 ILE A 19 -3.052 -8.364 7.545 1.00 0.00 C ATOM 274 CD1 ILE A 19 -2.981 -11.521 5.898 1.00 0.00 C ATOM 0 H ILE A 19 -0.495 -11.313 6.873 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.450 -8.554 7.483 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.766 -10.433 8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.814 -9.435 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.272 -10.229 5.609 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.080 -8.512 7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.051 -8.025 8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.572 -7.613 6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.986 -11.861 4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.441 -12.241 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.007 -11.434 6.257 1.00 0.00 H new ATOM 286 N ALA A 20 -0.461 -10.464 10.090 1.00 0.00 N ATOM 287 CA ALA A 20 -0.420 -10.442 11.578 1.00 0.00 C ATOM 288 C ALA A 20 0.749 -9.578 12.053 1.00 0.00 C ATOM 289 O ALA A 20 0.627 -8.815 12.991 1.00 0.00 O ATOM 290 CB ALA A 20 -0.247 -11.868 12.104 1.00 0.00 C ATOM 0 H ALA A 20 -0.198 -11.351 9.661 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.352 -10.023 11.956 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.217 -11.853 13.193 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.084 -12.482 11.773 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.684 -12.287 11.721 1.00 0.00 H new ATOM 296 N GLU A 21 1.884 -9.690 11.419 1.00 0.00 N ATOM 297 CA GLU A 21 3.056 -8.873 11.846 1.00 0.00 C ATOM 298 C GLU A 21 3.060 -7.540 11.090 1.00 0.00 C ATOM 299 O GLU A 21 3.767 -6.618 11.443 1.00 0.00 O ATOM 300 CB GLU A 21 4.349 -9.643 11.554 1.00 0.00 C ATOM 301 CG GLU A 21 4.689 -9.546 10.065 1.00 0.00 C ATOM 302 CD GLU A 21 5.764 -8.477 9.858 1.00 0.00 C ATOM 303 OE1 GLU A 21 5.835 -7.572 10.673 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.498 -8.582 8.888 1.00 0.00 O ATOM 0 H GLU A 21 2.051 -10.310 10.626 1.00 0.00 H new ATOM 0 HA GLU A 21 2.990 -8.674 12.916 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.167 -9.237 12.150 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.233 -10.688 11.842 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.043 -10.509 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.796 -9.295 9.492 1.00 0.00 H new ATOM 311 N PHE A 22 2.277 -7.432 10.051 1.00 0.00 N ATOM 312 CA PHE A 22 2.240 -6.160 9.274 1.00 0.00 C ATOM 313 C PHE A 22 1.228 -5.203 9.908 1.00 0.00 C ATOM 314 O PHE A 22 1.293 -4.003 9.724 1.00 0.00 O ATOM 315 CB PHE A 22 1.831 -6.456 7.829 1.00 0.00 C ATOM 316 CG PHE A 22 2.929 -6.012 6.891 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.143 -6.711 6.852 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.736 -4.902 6.060 1.00 0.00 C ATOM 319 CE1 PHE A 22 5.161 -6.299 5.983 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.754 -4.492 5.190 1.00 0.00 C ATOM 321 CZ PHE A 22 4.967 -5.190 5.152 1.00 0.00 C ATOM 0 H PHE A 22 1.662 -8.169 9.707 1.00 0.00 H new ATOM 0 HA PHE A 22 3.228 -5.700 9.283 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.642 -7.522 7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.903 -5.938 7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.294 -7.568 7.492 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.801 -4.362 6.090 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.097 -6.838 5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.603 -3.637 4.548 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.752 -4.873 4.482 1.00 0.00 H new ATOM 331 N LYS A 23 0.292 -5.724 10.655 1.00 0.00 N ATOM 332 CA LYS A 23 -0.724 -4.844 11.301 1.00 0.00 C ATOM 333 C LYS A 23 -0.035 -3.617 11.904 1.00 0.00 C ATOM 334 O LYS A 23 -0.495 -2.502 11.758 1.00 0.00 O ATOM 335 CB LYS A 23 -1.440 -5.623 12.407 1.00 0.00 C ATOM 336 CG LYS A 23 -2.455 -6.582 11.781 1.00 0.00 C ATOM 337 CD LYS A 23 -3.724 -6.611 12.635 1.00 0.00 C ATOM 338 CE LYS A 23 -4.200 -8.058 12.791 1.00 0.00 C ATOM 339 NZ LYS A 23 -5.119 -8.401 11.669 1.00 0.00 N ATOM 0 H LYS A 23 0.187 -6.721 10.846 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.449 -4.519 10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.716 -6.180 13.001 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.945 -4.934 13.084 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.694 -6.264 10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.029 -7.583 11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.527 -6.174 13.614 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.503 -6.009 12.168 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.346 -8.735 12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.711 -8.183 13.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.443 -9.384 11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.940 -7.762 11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.616 -8.297 10.764 1.00 0.00 H new ATOM 353 N ALA A 24 1.063 -3.810 12.585 1.00 0.00 N ATOM 354 CA ALA A 24 1.772 -2.650 13.196 1.00 0.00 C ATOM 355 C ALA A 24 2.676 -1.993 12.150 1.00 0.00 C ATOM 356 O ALA A 24 2.887 -0.796 12.163 1.00 0.00 O ATOM 357 CB ALA A 24 2.623 -3.132 14.373 1.00 0.00 C ATOM 0 H ALA A 24 1.498 -4.719 12.744 1.00 0.00 H new ATOM 0 HA ALA A 24 1.039 -1.925 13.550 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.141 -2.283 14.819 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.980 -3.598 15.120 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.355 -3.859 14.020 1.00 0.00 H new ATOM 363 N ALA A 25 3.213 -2.764 11.245 1.00 0.00 N ATOM 364 CA ALA A 25 4.102 -2.180 10.202 1.00 0.00 C ATOM 365 C ALA A 25 3.372 -1.045 9.480 1.00 0.00 C ATOM 366 O ALA A 25 3.745 0.107 9.579 1.00 0.00 O ATOM 367 CB ALA A 25 4.486 -3.262 9.190 1.00 0.00 C ATOM 0 H ALA A 25 3.075 -3.773 11.183 1.00 0.00 H new ATOM 0 HA ALA A 25 5.002 -1.789 10.676 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.136 -2.833 8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.010 -4.069 9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.585 -3.656 8.719 1.00 0.00 H new ATOM 373 N PHE A 26 2.334 -1.362 8.752 1.00 0.00 N ATOM 374 CA PHE A 26 1.585 -0.300 8.021 1.00 0.00 C ATOM 375 C PHE A 26 0.933 0.651 9.028 1.00 0.00 C ATOM 376 O PHE A 26 0.918 1.852 8.839 1.00 0.00 O ATOM 377 CB PHE A 26 0.500 -0.940 7.153 1.00 0.00 C ATOM 378 CG PHE A 26 -0.368 0.143 6.559 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.458 0.644 7.283 1.00 0.00 C ATOM 380 CD2 PHE A 26 -0.082 0.649 5.285 1.00 0.00 C ATOM 381 CE1 PHE A 26 -2.260 1.650 6.732 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.884 1.655 4.735 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.974 2.156 5.457 1.00 0.00 C ATOM 0 H PHE A 26 1.974 -2.309 8.633 1.00 0.00 H new ATOM 0 HA PHE A 26 2.276 0.256 7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.956 -1.533 6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.106 -1.620 7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.679 0.254 8.266 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.758 0.263 4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.100 2.037 7.290 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.662 2.045 3.753 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.594 2.932 5.032 1.00 0.00 H new ATOM 393 N ASP A 27 0.393 0.126 10.093 1.00 0.00 N ATOM 394 CA ASP A 27 -0.259 1.004 11.106 1.00 0.00 C ATOM 395 C ASP A 27 0.813 1.701 11.946 1.00 0.00 C ATOM 396 O ASP A 27 0.511 2.458 12.847 1.00 0.00 O ATOM 397 CB ASP A 27 -1.151 0.156 12.016 1.00 0.00 C ATOM 398 CG ASP A 27 -2.118 1.068 12.773 1.00 0.00 C ATOM 399 OD1 ASP A 27 -1.685 1.697 13.724 1.00 0.00 O ATOM 400 OD2 ASP A 27 -3.273 1.123 12.389 1.00 0.00 O ATOM 0 H ASP A 27 0.375 -0.871 10.306 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.865 1.755 10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.707 -0.571 11.424 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.539 -0.408 12.720 1.00 0.00 H new ATOM 405 N MET A 28 2.063 1.455 11.661 1.00 0.00 N ATOM 406 CA MET A 28 3.147 2.107 12.446 1.00 0.00 C ATOM 407 C MET A 28 3.076 3.623 12.253 1.00 0.00 C ATOM 408 O MET A 28 2.737 4.360 13.158 1.00 0.00 O ATOM 409 CB MET A 28 4.507 1.595 11.967 1.00 0.00 C ATOM 410 CG MET A 28 5.531 1.732 13.096 1.00 0.00 C ATOM 411 SD MET A 28 5.252 0.433 14.326 1.00 0.00 S ATOM 412 CE MET A 28 5.633 1.422 15.793 1.00 0.00 C ATOM 0 H MET A 28 2.379 0.831 10.919 1.00 0.00 H new ATOM 0 HA MET A 28 3.022 1.868 13.502 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.427 0.553 11.659 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.834 2.161 11.095 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.542 1.657 12.695 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.445 2.713 13.562 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.522 0.806 16.686 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.658 1.788 15.729 1.00 0.00 H new ATOM 0 HE3 MET A 28 4.948 2.268 15.849 1.00 0.00 H new ATOM 422 N PHE A 29 3.395 4.095 11.079 1.00 0.00 N ATOM 423 CA PHE A 29 3.349 5.562 10.825 1.00 0.00 C ATOM 424 C PHE A 29 2.059 6.148 11.407 1.00 0.00 C ATOM 425 O PHE A 29 2.077 7.153 12.089 1.00 0.00 O ATOM 426 CB PHE A 29 3.389 5.817 9.318 1.00 0.00 C ATOM 427 CG PHE A 29 4.825 5.876 8.856 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.637 4.740 8.950 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.345 7.067 8.332 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.969 4.793 8.523 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.676 7.120 7.905 1.00 0.00 C ATOM 432 CZ PHE A 29 7.489 5.984 7.999 1.00 0.00 C ATOM 0 H PHE A 29 3.686 3.527 10.284 1.00 0.00 H new ATOM 0 HA PHE A 29 4.207 6.038 11.300 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.858 5.025 8.790 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.881 6.752 9.083 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.236 3.822 9.352 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.718 7.944 8.258 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.596 3.916 8.597 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.077 8.038 7.502 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.516 6.026 7.668 1.00 0.00 H new ATOM 442 N ASP A 30 0.940 5.531 11.141 1.00 0.00 N ATOM 443 CA ASP A 30 -0.346 6.061 11.680 1.00 0.00 C ATOM 444 C ASP A 30 -0.876 5.118 12.761 1.00 0.00 C ATOM 445 O ASP A 30 -1.451 4.087 12.473 1.00 0.00 O ATOM 446 CB ASP A 30 -1.379 6.173 10.552 1.00 0.00 C ATOM 447 CG ASP A 30 -1.055 5.169 9.443 1.00 0.00 C ATOM 448 OD1 ASP A 30 -0.053 5.359 8.774 1.00 0.00 O ATOM 449 OD2 ASP A 30 -1.814 4.228 9.282 1.00 0.00 O ATOM 0 H ASP A 30 0.860 4.686 10.576 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.172 7.048 12.108 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.379 5.985 10.943 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.380 7.185 10.148 1.00 0.00 H new ATOM 454 N ALA A 31 -0.692 5.465 14.007 1.00 0.00 N ATOM 455 CA ALA A 31 -1.189 4.591 15.106 1.00 0.00 C ATOM 456 C ALA A 31 -2.347 5.289 15.821 1.00 0.00 C ATOM 457 O ALA A 31 -2.723 4.925 16.918 1.00 0.00 O ATOM 458 CB ALA A 31 -0.059 4.328 16.103 1.00 0.00 C ATOM 0 H ALA A 31 -0.219 6.316 14.310 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.532 3.643 14.691 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.424 3.688 16.907 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.768 3.834 15.593 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.285 5.274 16.521 1.00 0.00 H new ATOM 464 N ASP A 32 -2.915 6.292 15.209 1.00 0.00 N ATOM 465 CA ASP A 32 -4.046 7.013 15.854 1.00 0.00 C ATOM 466 C ASP A 32 -4.581 8.081 14.897 1.00 0.00 C ATOM 467 O ASP A 32 -5.760 8.367 14.867 1.00 0.00 O ATOM 468 CB ASP A 32 -3.556 7.680 17.142 1.00 0.00 C ATOM 469 CG ASP A 32 -4.754 8.209 17.931 1.00 0.00 C ATOM 470 OD1 ASP A 32 -5.528 8.963 17.361 1.00 0.00 O ATOM 471 OD2 ASP A 32 -4.878 7.853 19.091 1.00 0.00 O ATOM 0 H ASP A 32 -2.644 6.642 14.290 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.841 6.306 16.091 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.998 6.964 17.745 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.874 8.497 16.904 1.00 0.00 H new ATOM 476 N GLY A 33 -3.720 8.671 14.113 1.00 0.00 N ATOM 477 CA GLY A 33 -4.180 9.717 13.157 1.00 0.00 C ATOM 478 C GLY A 33 -5.411 9.214 12.401 1.00 0.00 C ATOM 479 O GLY A 33 -6.307 9.969 12.082 1.00 0.00 O ATOM 0 H GLY A 33 -2.719 8.474 14.093 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.420 10.635 13.694 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.382 9.958 12.454 1.00 0.00 H new ATOM 483 N GLY A 34 -5.461 7.942 12.114 1.00 0.00 N ATOM 484 CA GLY A 34 -6.635 7.389 11.381 1.00 0.00 C ATOM 485 C GLY A 34 -6.301 5.989 10.862 1.00 0.00 C ATOM 486 O GLY A 34 -7.152 5.125 10.787 1.00 0.00 O ATOM 0 H GLY A 34 -4.740 7.262 12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.502 7.346 12.041 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.899 8.043 10.550 1.00 0.00 H new ATOM 490 N GLY A 35 -5.066 5.756 10.506 1.00 0.00 N ATOM 491 CA GLY A 35 -4.679 4.411 9.994 1.00 0.00 C ATOM 492 C GLY A 35 -4.673 4.430 8.464 1.00 0.00 C ATOM 493 O GLY A 35 -5.454 3.757 7.822 1.00 0.00 O ATOM 0 H GLY A 35 -4.309 6.439 10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.693 4.137 10.369 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.378 3.657 10.356 1.00 0.00 H new ATOM 497 N ASP A 36 -3.797 5.198 7.876 1.00 0.00 N ATOM 498 CA ASP A 36 -3.740 5.262 6.390 1.00 0.00 C ATOM 499 C ASP A 36 -2.446 5.957 5.962 1.00 0.00 C ATOM 500 O ASP A 36 -1.623 6.315 6.781 1.00 0.00 O ATOM 501 CB ASP A 36 -4.942 6.053 5.867 1.00 0.00 C ATOM 502 CG ASP A 36 -4.998 7.415 6.561 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.468 7.524 7.654 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.571 8.327 5.985 1.00 0.00 O ATOM 0 H ASP A 36 -3.118 5.784 8.362 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.764 4.252 5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.862 6.186 4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.863 5.500 6.053 1.00 0.00 H new ATOM 509 N ILE A 37 -2.259 6.152 4.686 1.00 0.00 N ATOM 510 CA ILE A 37 -1.017 6.826 4.208 1.00 0.00 C ATOM 511 C ILE A 37 -1.302 7.531 2.882 1.00 0.00 C ATOM 512 O ILE A 37 -2.018 7.028 2.040 1.00 0.00 O ATOM 513 CB ILE A 37 0.103 5.795 4.003 1.00 0.00 C ATOM 514 CG1 ILE A 37 -0.493 4.391 3.856 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.046 5.821 5.207 1.00 0.00 C ATOM 516 CD1 ILE A 37 -1.173 4.266 2.491 1.00 0.00 C ATOM 0 H ILE A 37 -2.912 5.874 3.953 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.699 7.553 4.955 1.00 0.00 H new ATOM 0 HB ILE A 37 0.654 6.046 3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.291 3.640 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.214 4.205 4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.841 5.090 5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.481 6.815 5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.488 5.577 6.111 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.597 3.267 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.967 5.008 2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.439 4.433 1.702 1.00 0.00 H new ATOM 528 N SER A 38 -0.745 8.695 2.689 1.00 0.00 N ATOM 529 CA SER A 38 -0.979 9.434 1.417 1.00 0.00 C ATOM 530 C SER A 38 0.349 9.602 0.677 1.00 0.00 C ATOM 531 O SER A 38 1.315 8.920 0.955 1.00 0.00 O ATOM 532 CB SER A 38 -1.569 10.810 1.730 1.00 0.00 C ATOM 533 OG SER A 38 -1.798 10.913 3.129 1.00 0.00 O ATOM 0 H SER A 38 -0.137 9.167 3.359 1.00 0.00 H new ATOM 0 HA SER A 38 -1.675 8.875 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.887 11.594 1.402 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.502 10.951 1.185 1.00 0.00 H new ATOM 0 HG SER A 38 -2.175 11.794 3.335 1.00 0.00 H new ATOM 539 N THR A 39 0.406 10.503 -0.263 1.00 0.00 N ATOM 540 CA THR A 39 1.673 10.710 -1.019 1.00 0.00 C ATOM 541 C THR A 39 2.742 11.270 -0.078 1.00 0.00 C ATOM 542 O THR A 39 3.924 11.203 -0.355 1.00 0.00 O ATOM 543 CB THR A 39 1.428 11.698 -2.160 1.00 0.00 C ATOM 544 OG1 THR A 39 1.519 13.025 -1.661 1.00 0.00 O ATOM 545 CG2 THR A 39 0.035 11.466 -2.747 1.00 0.00 C ATOM 0 H THR A 39 -0.369 11.105 -0.541 1.00 0.00 H new ATOM 0 HA THR A 39 2.013 9.759 -1.429 1.00 0.00 H new ATOM 0 HB THR A 39 2.177 11.549 -2.938 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.364 13.660 -2.391 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.139 12.171 -3.560 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.034 10.447 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.716 11.615 -1.971 1.00 0.00 H new ATOM 553 N LYS A 40 2.336 11.823 1.032 1.00 0.00 N ATOM 554 CA LYS A 40 3.327 12.390 1.991 1.00 0.00 C ATOM 555 C LYS A 40 3.812 11.289 2.935 1.00 0.00 C ATOM 556 O LYS A 40 4.933 11.310 3.406 1.00 0.00 O ATOM 557 CB LYS A 40 2.664 13.504 2.803 1.00 0.00 C ATOM 558 CG LYS A 40 3.635 14.005 3.873 1.00 0.00 C ATOM 559 CD LYS A 40 2.873 14.249 5.178 1.00 0.00 C ATOM 560 CE LYS A 40 3.718 13.769 6.360 1.00 0.00 C ATOM 561 NZ LYS A 40 3.988 14.915 7.273 1.00 0.00 N ATOM 0 H LYS A 40 1.360 11.907 1.317 1.00 0.00 H new ATOM 0 HA LYS A 40 4.177 12.795 1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.376 14.325 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.751 13.134 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.427 13.273 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.115 14.926 3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.646 15.310 5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.920 13.720 5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.196 12.977 6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.657 13.346 6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.562 14.590 8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.503 15.656 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.087 15.299 7.624 1.00 0.00 H new ATOM 575 N GLU A 41 2.976 10.329 3.218 1.00 0.00 N ATOM 576 CA GLU A 41 3.387 9.230 4.134 1.00 0.00 C ATOM 577 C GLU A 41 4.143 8.158 3.344 1.00 0.00 C ATOM 578 O GLU A 41 5.305 7.901 3.589 1.00 0.00 O ATOM 579 CB GLU A 41 2.143 8.613 4.775 1.00 0.00 C ATOM 580 CG GLU A 41 1.279 9.722 5.380 1.00 0.00 C ATOM 581 CD GLU A 41 1.723 9.990 6.820 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.821 10.490 6.998 1.00 0.00 O ATOM 583 OE2 GLU A 41 0.956 9.690 7.720 1.00 0.00 O ATOM 0 H GLU A 41 2.026 10.258 2.854 1.00 0.00 H new ATOM 0 HA GLU A 41 4.038 9.629 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.573 8.059 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.434 7.901 5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.368 10.631 4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.229 9.430 5.361 1.00 0.00 H new ATOM 590 N LEU A 42 3.498 7.531 2.396 1.00 0.00 N ATOM 591 CA LEU A 42 4.194 6.480 1.600 1.00 0.00 C ATOM 592 C LEU A 42 5.210 7.138 0.664 1.00 0.00 C ATOM 593 O LEU A 42 6.007 6.475 0.030 1.00 0.00 O ATOM 594 CB LEU A 42 3.166 5.674 0.790 1.00 0.00 C ATOM 595 CG LEU A 42 2.732 6.447 -0.462 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.050 5.613 -1.705 1.00 0.00 C ATOM 597 CD2 LEU A 42 1.224 6.705 -0.401 1.00 0.00 C ATOM 0 H LEU A 42 2.525 7.700 2.140 1.00 0.00 H new ATOM 0 HA LEU A 42 4.718 5.801 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.596 4.715 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.296 5.459 1.410 1.00 0.00 H new ATOM 0 HG LEU A 42 3.265 7.397 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.743 6.158 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.122 5.419 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.512 4.666 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.913 7.254 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.694 5.754 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.991 7.291 0.488 1.00 0.00 H new ATOM 609 N GLY A 43 5.189 8.440 0.576 1.00 0.00 N ATOM 610 CA GLY A 43 6.155 9.143 -0.314 1.00 0.00 C ATOM 611 C GLY A 43 7.403 9.519 0.487 1.00 0.00 C ATOM 612 O GLY A 43 8.502 9.538 -0.030 1.00 0.00 O ATOM 0 H GLY A 43 4.544 9.047 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.427 8.502 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.695 10.038 -0.733 1.00 0.00 H new ATOM 616 N THR A 44 7.241 9.818 1.747 1.00 0.00 N ATOM 617 CA THR A 44 8.416 10.191 2.583 1.00 0.00 C ATOM 618 C THR A 44 9.127 8.921 3.053 1.00 0.00 C ATOM 619 O THR A 44 10.328 8.788 2.927 1.00 0.00 O ATOM 620 CB THR A 44 7.943 10.991 3.800 1.00 0.00 C ATOM 621 OG1 THR A 44 7.475 12.265 3.376 1.00 0.00 O ATOM 622 CG2 THR A 44 9.105 11.170 4.778 1.00 0.00 C ATOM 0 H THR A 44 6.345 9.820 2.234 1.00 0.00 H new ATOM 0 HA THR A 44 9.104 10.798 1.995 1.00 0.00 H new ATOM 0 HB THR A 44 7.134 10.454 4.296 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.500 12.241 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.767 11.740 5.644 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.461 10.192 5.103 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.916 11.706 4.285 1.00 0.00 H new ATOM 630 N VAL A 45 8.393 7.986 3.591 1.00 0.00 N ATOM 631 CA VAL A 45 9.023 6.724 4.065 1.00 0.00 C ATOM 632 C VAL A 45 9.815 6.099 2.918 1.00 0.00 C ATOM 633 O VAL A 45 10.778 5.386 3.129 1.00 0.00 O ATOM 634 CB VAL A 45 7.937 5.750 4.528 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.184 5.208 3.310 1.00 0.00 C ATOM 636 CG2 VAL A 45 8.586 4.589 5.283 1.00 0.00 C ATOM 0 H VAL A 45 7.383 8.043 3.722 1.00 0.00 H new ATOM 0 HA VAL A 45 9.691 6.939 4.899 1.00 0.00 H new ATOM 0 HB VAL A 45 7.239 6.268 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.411 4.514 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.723 6.035 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.881 4.688 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.815 3.894 5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.283 4.071 4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.124 4.974 6.150 1.00 0.00 H new ATOM 646 N MET A 46 9.421 6.363 1.703 1.00 0.00 N ATOM 647 CA MET A 46 10.153 5.790 0.543 1.00 0.00 C ATOM 648 C MET A 46 11.268 6.753 0.130 1.00 0.00 C ATOM 649 O MET A 46 12.344 6.342 -0.256 1.00 0.00 O ATOM 650 CB MET A 46 9.184 5.582 -0.623 1.00 0.00 C ATOM 651 CG MET A 46 9.216 4.114 -1.054 1.00 0.00 C ATOM 652 SD MET A 46 8.009 3.845 -2.375 1.00 0.00 S ATOM 653 CE MET A 46 6.522 4.143 -1.387 1.00 0.00 C ATOM 0 H MET A 46 8.623 6.952 1.465 1.00 0.00 H new ATOM 0 HA MET A 46 10.587 4.829 0.818 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.174 5.863 -0.325 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.460 6.224 -1.459 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.215 3.847 -1.400 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.990 3.470 -0.204 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.816 3.326 -1.536 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.792 4.202 -0.333 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.061 5.081 -1.697 1.00 0.00 H new ATOM 663 N ARG A 47 11.025 8.034 0.223 1.00 0.00 N ATOM 664 CA ARG A 47 12.083 9.016 -0.148 1.00 0.00 C ATOM 665 C ARG A 47 13.220 8.927 0.873 1.00 0.00 C ATOM 666 O ARG A 47 14.265 9.520 0.704 1.00 0.00 O ATOM 667 CB ARG A 47 11.499 10.432 -0.146 1.00 0.00 C ATOM 668 CG ARG A 47 11.760 11.111 -1.497 1.00 0.00 C ATOM 669 CD ARG A 47 10.937 12.395 -1.584 1.00 0.00 C ATOM 670 NE ARG A 47 11.266 13.267 -0.420 1.00 0.00 N ATOM 671 CZ ARG A 47 10.316 13.695 0.366 1.00 0.00 C ATOM 672 NH1 ARG A 47 9.540 14.671 -0.020 1.00 0.00 N ATOM 673 NH2 ARG A 47 10.141 13.146 1.537 1.00 0.00 N ATOM 0 H ARG A 47 10.144 8.440 0.538 1.00 0.00 H new ATOM 0 HA ARG A 47 12.462 8.791 -1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.427 10.392 0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.947 11.018 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.821 11.337 -1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.493 10.439 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.152 12.917 -2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.873 12.160 -1.588 1.00 0.00 H new ATOM 0 HE ARG A 47 12.235 13.529 -0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.676 15.099 -0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.798 15.006 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.747 12.382 1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.399 13.481 2.151 1.00 0.00 H new ATOM 687 N MET A 48 13.025 8.185 1.935 1.00 0.00 N ATOM 688 CA MET A 48 14.098 8.056 2.963 1.00 0.00 C ATOM 689 C MET A 48 15.161 7.073 2.465 1.00 0.00 C ATOM 690 O MET A 48 16.276 7.451 2.167 1.00 0.00 O ATOM 691 CB MET A 48 13.497 7.536 4.270 1.00 0.00 C ATOM 692 CG MET A 48 14.588 7.463 5.340 1.00 0.00 C ATOM 693 SD MET A 48 13.953 8.136 6.896 1.00 0.00 S ATOM 694 CE MET A 48 12.891 6.737 7.335 1.00 0.00 C ATOM 0 H MET A 48 12.170 7.665 2.132 1.00 0.00 H new ATOM 0 HA MET A 48 14.553 9.031 3.137 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.693 8.194 4.600 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.059 6.550 4.114 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.906 6.430 5.481 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.465 8.025 5.019 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.447 6.911 8.315 1.00 0.00 H new ATOM 0 HE2 MET A 48 12.101 6.633 6.591 1.00 0.00 H new ATOM 0 HE3 MET A 48 13.485 5.824 7.363 1.00 0.00 H new ATOM 704 N LEU A 49 14.821 5.812 2.365 1.00 0.00 N ATOM 705 CA LEU A 49 15.810 4.807 1.877 1.00 0.00 C ATOM 706 C LEU A 49 16.557 5.388 0.676 1.00 0.00 C ATOM 707 O LEU A 49 17.693 5.048 0.408 1.00 0.00 O ATOM 708 CB LEU A 49 15.075 3.530 1.457 1.00 0.00 C ATOM 709 CG LEU A 49 14.805 2.664 2.689 1.00 0.00 C ATOM 710 CD1 LEU A 49 16.130 2.294 3.357 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.938 3.446 3.679 1.00 0.00 C ATOM 0 H LEU A 49 13.902 5.437 2.600 1.00 0.00 H new ATOM 0 HA LEU A 49 16.518 4.569 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.136 3.784 0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.673 2.975 0.734 1.00 0.00 H new ATOM 0 HG LEU A 49 14.286 1.755 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.935 1.677 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.750 1.739 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.651 3.202 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.744 2.831 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.459 4.355 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.992 3.710 3.205 1.00 0.00 H new ATOM 723 N GLY A 50 15.924 6.277 -0.039 1.00 0.00 N ATOM 724 CA GLY A 50 16.577 6.909 -1.217 1.00 0.00 C ATOM 725 C GLY A 50 15.981 8.303 -1.383 1.00 0.00 C ATOM 726 O GLY A 50 16.182 9.169 -0.557 1.00 0.00 O ATOM 0 H GLY A 50 14.973 6.595 0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.655 6.969 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.410 6.312 -2.113 1.00 0.00 H new ATOM 730 N GLN A 51 15.217 8.520 -2.416 1.00 0.00 N ATOM 731 CA GLN A 51 14.580 9.856 -2.581 1.00 0.00 C ATOM 732 C GLN A 51 13.776 9.942 -3.876 1.00 0.00 C ATOM 733 O GLN A 51 12.914 10.786 -4.019 1.00 0.00 O ATOM 734 CB GLN A 51 15.614 10.969 -2.559 1.00 0.00 C ATOM 735 CG GLN A 51 14.947 12.184 -1.927 1.00 0.00 C ATOM 736 CD GLN A 51 15.987 13.271 -1.658 1.00 0.00 C ATOM 737 OE1 GLN A 51 17.172 13.042 -1.792 1.00 0.00 O ATOM 738 NE2 GLN A 51 15.588 14.455 -1.280 1.00 0.00 N ATOM 0 H GLN A 51 15.007 7.839 -3.146 1.00 0.00 H new ATOM 0 HA GLN A 51 13.901 9.982 -1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 51 16.491 10.669 -1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 51 15.956 11.198 -3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.171 12.568 -2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.459 11.898 -0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.592 14.646 -1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 51 16.272 15.189 -1.097 1.00 0.00 H new ATOM 747 N ASN A 52 14.034 9.076 -4.817 1.00 0.00 N ATOM 748 CA ASN A 52 13.267 9.113 -6.086 1.00 0.00 C ATOM 749 C ASN A 52 11.784 9.377 -5.819 1.00 0.00 C ATOM 750 O ASN A 52 11.188 10.193 -6.494 1.00 0.00 O ATOM 751 CB ASN A 52 13.437 7.788 -6.831 1.00 0.00 C ATOM 752 CG ASN A 52 14.896 7.629 -7.257 1.00 0.00 C ATOM 753 OD1 ASN A 52 15.461 6.559 -7.146 1.00 0.00 O ATOM 754 ND2 ASN A 52 15.535 8.657 -7.745 1.00 0.00 N ATOM 0 H ASN A 52 14.744 8.346 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 52 13.653 9.926 -6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.141 6.957 -6.190 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.787 7.764 -7.705 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.509 8.562 -8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.061 9.555 -7.838 1.00 0.00 H new ATOM 761 N PRO A 53 11.216 8.701 -4.852 1.00 0.00 N ATOM 762 CA PRO A 53 9.795 8.894 -4.523 1.00 0.00 C ATOM 763 C PRO A 53 9.513 10.288 -3.957 1.00 0.00 C ATOM 764 O PRO A 53 9.463 10.492 -2.762 1.00 0.00 O ATOM 765 CB PRO A 53 9.510 7.800 -3.504 1.00 0.00 C ATOM 766 CG PRO A 53 10.861 7.363 -2.923 1.00 0.00 C ATOM 767 CD PRO A 53 11.901 7.694 -3.995 1.00 0.00 C ATOM 0 HA PRO A 53 9.154 8.829 -5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.853 8.169 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.002 6.958 -3.974 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.076 7.890 -1.993 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.862 6.298 -2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.814 8.096 -3.556 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.184 6.809 -4.565 1.00 0.00 H new ATOM 775 N THR A 54 9.298 11.242 -4.825 1.00 0.00 N ATOM 776 CA THR A 54 8.990 12.628 -4.378 1.00 0.00 C ATOM 777 C THR A 54 7.530 12.696 -3.931 1.00 0.00 C ATOM 778 O THR A 54 6.755 11.798 -4.189 1.00 0.00 O ATOM 779 CB THR A 54 9.187 13.582 -5.553 1.00 0.00 C ATOM 780 OG1 THR A 54 10.499 13.426 -6.075 1.00 0.00 O ATOM 781 CG2 THR A 54 8.983 15.023 -5.092 1.00 0.00 C ATOM 0 H THR A 54 9.324 11.115 -5.837 1.00 0.00 H new ATOM 0 HA THR A 54 9.647 12.905 -3.553 1.00 0.00 H new ATOM 0 HB THR A 54 8.458 13.351 -6.330 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.625 14.037 -6.831 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.125 15.698 -5.936 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.973 15.140 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.705 15.261 -4.311 1.00 0.00 H new ATOM 789 N LYS A 55 7.137 13.754 -3.277 1.00 0.00 N ATOM 790 CA LYS A 55 5.721 13.859 -2.839 1.00 0.00 C ATOM 791 C LYS A 55 4.817 13.857 -4.067 1.00 0.00 C ATOM 792 O LYS A 55 3.732 13.309 -4.054 1.00 0.00 O ATOM 793 CB LYS A 55 5.510 15.160 -2.066 1.00 0.00 C ATOM 794 CG LYS A 55 4.041 15.276 -1.661 1.00 0.00 C ATOM 795 CD LYS A 55 3.740 16.715 -1.243 1.00 0.00 C ATOM 796 CE LYS A 55 2.823 16.710 -0.020 1.00 0.00 C ATOM 797 NZ LYS A 55 3.490 17.426 1.103 1.00 0.00 N ATOM 0 H LYS A 55 7.732 14.544 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 55 5.480 13.014 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.145 15.177 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.798 16.012 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.399 14.986 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.824 14.594 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.667 17.240 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.265 17.252 -2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.875 17.192 -0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.595 15.685 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.867 17.423 1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.383 16.948 1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.686 18.408 0.821 1.00 0.00 H new ATOM 811 N GLU A 56 5.257 14.462 -5.133 1.00 0.00 N ATOM 812 CA GLU A 56 4.428 14.489 -6.362 1.00 0.00 C ATOM 813 C GLU A 56 4.691 13.211 -7.153 1.00 0.00 C ATOM 814 O GLU A 56 3.914 12.816 -7.999 1.00 0.00 O ATOM 815 CB GLU A 56 4.801 15.705 -7.212 1.00 0.00 C ATOM 816 CG GLU A 56 3.586 16.149 -8.030 1.00 0.00 C ATOM 817 CD GLU A 56 2.897 17.319 -7.328 1.00 0.00 C ATOM 818 OE1 GLU A 56 2.371 17.110 -6.248 1.00 0.00 O ATOM 819 OE2 GLU A 56 2.907 18.406 -7.883 1.00 0.00 O ATOM 0 H GLU A 56 6.156 14.939 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 56 3.373 14.555 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.139 16.520 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.629 15.457 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.897 16.445 -9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.889 15.319 -8.145 1.00 0.00 H new ATOM 826 N GLU A 57 5.787 12.558 -6.874 1.00 0.00 N ATOM 827 CA GLU A 57 6.106 11.300 -7.599 1.00 0.00 C ATOM 828 C GLU A 57 5.104 10.219 -7.191 1.00 0.00 C ATOM 829 O GLU A 57 4.730 9.375 -7.982 1.00 0.00 O ATOM 830 CB GLU A 57 7.522 10.848 -7.239 1.00 0.00 C ATOM 831 CG GLU A 57 7.982 9.771 -8.224 1.00 0.00 C ATOM 832 CD GLU A 57 7.568 8.393 -7.703 1.00 0.00 C ATOM 833 OE1 GLU A 57 7.460 8.246 -6.497 1.00 0.00 O ATOM 834 OE2 GLU A 57 7.366 7.509 -8.518 1.00 0.00 O ATOM 0 H GLU A 57 6.473 12.843 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 57 6.045 11.470 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.204 11.697 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.543 10.458 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.541 9.948 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.064 9.815 -8.348 1.00 0.00 H new ATOM 841 N LEU A 58 4.665 10.242 -5.960 1.00 0.00 N ATOM 842 CA LEU A 58 3.684 9.220 -5.497 1.00 0.00 C ATOM 843 C LEU A 58 2.326 9.490 -6.147 1.00 0.00 C ATOM 844 O LEU A 58 1.489 8.615 -6.243 1.00 0.00 O ATOM 845 CB LEU A 58 3.539 9.292 -3.973 1.00 0.00 C ATOM 846 CG LEU A 58 4.729 8.602 -3.293 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.978 7.236 -3.934 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.981 9.468 -3.443 1.00 0.00 C ATOM 0 H LEU A 58 4.944 10.925 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 58 4.038 8.228 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.483 10.333 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.609 8.814 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 58 4.502 8.467 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.824 6.754 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.090 6.614 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.197 7.366 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.824 8.975 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.201 9.609 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.811 10.438 -2.976 1.00 0.00 H new ATOM 860 N ASP A 59 2.097 10.694 -6.592 1.00 0.00 N ATOM 861 CA ASP A 59 0.790 11.015 -7.230 1.00 0.00 C ATOM 862 C ASP A 59 0.538 10.063 -8.403 1.00 0.00 C ATOM 863 O ASP A 59 -0.591 9.796 -8.765 1.00 0.00 O ATOM 864 CB ASP A 59 0.810 12.454 -7.743 1.00 0.00 C ATOM 865 CG ASP A 59 -0.555 12.799 -8.342 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.547 12.326 -7.813 1.00 0.00 O ATOM 867 OD2 ASP A 59 -0.584 13.528 -9.320 1.00 0.00 O ATOM 0 H ASP A 59 2.758 11.469 -6.542 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.005 10.900 -6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.046 13.139 -6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.590 12.573 -8.495 1.00 0.00 H new ATOM 872 N ALA A 60 1.578 9.552 -9.006 1.00 0.00 N ATOM 873 CA ALA A 60 1.388 8.623 -10.158 1.00 0.00 C ATOM 874 C ALA A 60 0.777 7.310 -9.667 1.00 0.00 C ATOM 875 O ALA A 60 -0.282 6.907 -10.104 1.00 0.00 O ATOM 876 CB ALA A 60 2.740 8.341 -10.818 1.00 0.00 C ATOM 0 H ALA A 60 2.548 9.737 -8.752 1.00 0.00 H new ATOM 0 HA ALA A 60 0.718 9.084 -10.884 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.600 7.662 -11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.173 9.276 -11.174 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.411 7.884 -10.091 1.00 0.00 H new ATOM 882 N ILE A 61 1.430 6.641 -8.757 1.00 0.00 N ATOM 883 CA ILE A 61 0.871 5.358 -8.240 1.00 0.00 C ATOM 884 C ILE A 61 -0.431 5.654 -7.499 1.00 0.00 C ATOM 885 O ILE A 61 -1.201 4.765 -7.193 1.00 0.00 O ATOM 886 CB ILE A 61 1.859 4.698 -7.272 1.00 0.00 C ATOM 887 CG1 ILE A 61 3.287 5.081 -7.643 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.718 3.181 -7.342 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.756 6.182 -6.700 1.00 0.00 C ATOM 0 H ILE A 61 2.322 6.924 -8.350 1.00 0.00 H new ATOM 0 HA ILE A 61 0.690 4.682 -9.076 1.00 0.00 H new ATOM 0 HB ILE A 61 1.640 5.041 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.943 4.214 -7.568 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.330 5.424 -8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.423 2.718 -6.652 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.702 2.897 -7.068 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.928 2.842 -8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.777 6.467 -6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.102 7.049 -6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.725 5.819 -5.673 1.00 0.00 H new ATOM 901 N ILE A 62 -0.683 6.901 -7.205 1.00 0.00 N ATOM 902 CA ILE A 62 -1.932 7.257 -6.481 1.00 0.00 C ATOM 903 C ILE A 62 -3.066 7.456 -7.491 1.00 0.00 C ATOM 904 O ILE A 62 -4.230 7.346 -7.164 1.00 0.00 O ATOM 905 CB ILE A 62 -1.713 8.552 -5.693 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.761 8.278 -4.523 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.050 9.066 -5.151 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.459 7.390 -3.491 1.00 0.00 C ATOM 0 H ILE A 62 -0.076 7.688 -7.436 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.196 6.455 -5.792 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.281 9.305 -6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.144 7.790 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.455 9.217 -4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.886 9.987 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.728 9.262 -5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.489 8.316 -4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.781 7.196 -2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.352 7.895 -3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.742 6.446 -3.956 1.00 0.00 H new ATOM 920 N GLU A 63 -2.735 7.752 -8.718 1.00 0.00 N ATOM 921 CA GLU A 63 -3.794 7.963 -9.746 1.00 0.00 C ATOM 922 C GLU A 63 -4.241 6.612 -10.313 1.00 0.00 C ATOM 923 O GLU A 63 -5.245 6.515 -10.990 1.00 0.00 O ATOM 924 CB GLU A 63 -3.236 8.833 -10.878 1.00 0.00 C ATOM 925 CG GLU A 63 -4.177 8.775 -12.085 1.00 0.00 C ATOM 926 CD GLU A 63 -3.640 9.679 -13.196 1.00 0.00 C ATOM 927 OE1 GLU A 63 -2.674 10.382 -12.947 1.00 0.00 O ATOM 928 OE2 GLU A 63 -4.204 9.654 -14.278 1.00 0.00 O ATOM 0 H GLU A 63 -1.777 7.857 -9.053 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.649 8.461 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.128 9.863 -10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.243 8.485 -11.162 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.261 7.750 -12.445 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.178 9.094 -11.795 1.00 0.00 H new ATOM 935 N GLU A 64 -3.502 5.570 -10.051 1.00 0.00 N ATOM 936 CA GLU A 64 -3.888 4.233 -10.586 1.00 0.00 C ATOM 937 C GLU A 64 -4.866 3.547 -9.628 1.00 0.00 C ATOM 938 O GLU A 64 -5.757 2.833 -10.046 1.00 0.00 O ATOM 939 CB GLU A 64 -2.637 3.364 -10.743 1.00 0.00 C ATOM 940 CG GLU A 64 -1.870 3.329 -9.420 1.00 0.00 C ATOM 941 CD GLU A 64 -0.755 2.284 -9.504 1.00 0.00 C ATOM 942 OE1 GLU A 64 0.274 2.592 -10.083 1.00 0.00 O ATOM 943 OE2 GLU A 64 -0.947 1.196 -8.989 1.00 0.00 O ATOM 0 H GLU A 64 -2.650 5.585 -9.491 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.369 4.364 -11.556 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.918 2.353 -11.039 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.001 3.763 -11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.447 4.311 -9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.548 3.088 -8.601 1.00 0.00 H new ATOM 950 N VAL A 65 -4.709 3.747 -8.348 1.00 0.00 N ATOM 951 CA VAL A 65 -5.633 3.093 -7.378 1.00 0.00 C ATOM 952 C VAL A 65 -6.369 4.155 -6.557 1.00 0.00 C ATOM 953 O VAL A 65 -7.535 4.012 -6.248 1.00 0.00 O ATOM 954 CB VAL A 65 -4.831 2.188 -6.439 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.194 1.054 -7.243 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.732 3.005 -5.755 1.00 0.00 C ATOM 0 H VAL A 65 -3.984 4.332 -7.933 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.362 2.497 -7.927 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.497 1.770 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.623 0.410 -6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.975 0.470 -7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.529 1.473 -7.999 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.162 2.360 -5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.067 3.424 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.184 3.814 -5.180 1.00 0.00 H new ATOM 966 N ASP A 66 -5.700 5.215 -6.196 1.00 0.00 N ATOM 967 CA ASP A 66 -6.371 6.275 -5.390 1.00 0.00 C ATOM 968 C ASP A 66 -7.036 7.289 -6.324 1.00 0.00 C ATOM 969 O ASP A 66 -7.286 8.417 -5.950 1.00 0.00 O ATOM 970 CB ASP A 66 -5.335 6.987 -4.518 1.00 0.00 C ATOM 971 CG ASP A 66 -5.009 6.119 -3.302 1.00 0.00 C ATOM 972 OD1 ASP A 66 -5.316 4.939 -3.341 1.00 0.00 O ATOM 973 OD2 ASP A 66 -4.457 6.650 -2.352 1.00 0.00 O ATOM 0 H ASP A 66 -4.722 5.393 -6.423 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.129 5.818 -4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.430 7.179 -5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.719 7.955 -4.195 1.00 0.00 H new ATOM 978 N GLU A 67 -7.329 6.896 -7.533 1.00 0.00 N ATOM 979 CA GLU A 67 -7.982 7.840 -8.485 1.00 0.00 C ATOM 980 C GLU A 67 -9.383 8.187 -7.977 1.00 0.00 C ATOM 981 O GLU A 67 -9.954 9.194 -8.344 1.00 0.00 O ATOM 982 CB GLU A 67 -8.088 7.181 -9.862 1.00 0.00 C ATOM 983 CG GLU A 67 -8.386 8.247 -10.918 1.00 0.00 C ATOM 984 CD GLU A 67 -8.043 7.702 -12.306 1.00 0.00 C ATOM 985 OE1 GLU A 67 -8.640 6.710 -12.696 1.00 0.00 O ATOM 986 OE2 GLU A 67 -7.191 8.285 -12.957 1.00 0.00 O ATOM 0 H GLU A 67 -7.145 5.963 -7.903 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.387 8.750 -8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.158 6.666 -10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.877 6.429 -9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.438 8.530 -10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.805 9.147 -10.715 1.00 0.00 H new ATOM 993 N ASP A 68 -9.941 7.361 -7.135 1.00 0.00 N ATOM 994 CA ASP A 68 -11.305 7.646 -6.606 1.00 0.00 C ATOM 995 C ASP A 68 -11.390 9.112 -6.177 1.00 0.00 C ATOM 996 O ASP A 68 -12.299 9.827 -6.552 1.00 0.00 O ATOM 997 CB ASP A 68 -11.584 6.746 -5.401 1.00 0.00 C ATOM 998 CG ASP A 68 -11.438 5.281 -5.814 1.00 0.00 C ATOM 999 OD1 ASP A 68 -11.240 5.036 -6.992 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -11.527 4.429 -4.946 1.00 0.00 O ATOM 0 H ASP A 68 -9.512 6.502 -6.791 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.043 7.451 -7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.891 6.978 -4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.589 6.930 -5.022 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.451 9.567 -5.391 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.479 10.987 -4.939 1.00 0.00 C ATOM 1007 C GLY A 69 -10.103 11.062 -3.457 1.00 0.00 C ATOM 1008 O GLY A 69 -10.765 11.712 -2.672 1.00 0.00 O ATOM 0 H GLY A 69 -9.666 9.016 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.784 11.581 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.472 11.409 -5.094 1.00 0.00 H new ATOM 1012 N SER A 70 -9.047 10.401 -3.069 1.00 0.00 N ATOM 1013 CA SER A 70 -8.632 10.437 -1.638 1.00 0.00 C ATOM 1014 C SER A 70 -7.141 10.769 -1.544 1.00 0.00 C ATOM 1015 O SER A 70 -6.709 11.476 -0.656 1.00 0.00 O ATOM 1016 CB SER A 70 -8.889 9.072 -0.997 1.00 0.00 C ATOM 1017 OG SER A 70 -7.903 8.827 -0.002 1.00 0.00 O ATOM 0 H SER A 70 -8.455 9.838 -3.680 1.00 0.00 H new ATOM 0 HA SER A 70 -9.208 11.200 -1.115 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.884 9.047 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.859 8.290 -1.755 1.00 0.00 H new ATOM 0 HG SER A 70 -8.066 7.954 0.412 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.351 10.263 -2.451 1.00 0.00 N ATOM 1024 CA GLY A 71 -4.890 10.552 -2.408 1.00 0.00 C ATOM 1025 C GLY A 71 -4.247 9.754 -1.272 1.00 0.00 C ATOM 1026 O GLY A 71 -3.109 9.977 -0.909 1.00 0.00 O ATOM 0 H GLY A 71 -6.653 9.663 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.428 10.288 -3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.723 11.619 -2.258 1.00 0.00 H new ATOM 1030 N THR A 72 -4.966 8.822 -0.710 1.00 0.00 N ATOM 1031 CA THR A 72 -4.397 8.007 0.403 1.00 0.00 C ATOM 1032 C THR A 72 -4.988 6.596 0.344 1.00 0.00 C ATOM 1033 O THR A 72 -5.819 6.297 -0.491 1.00 0.00 O ATOM 1034 CB THR A 72 -4.725 8.652 1.765 1.00 0.00 C ATOM 1035 OG1 THR A 72 -5.569 7.786 2.513 1.00 0.00 O ATOM 1036 CG2 THR A 72 -5.432 9.997 1.564 1.00 0.00 C ATOM 0 H THR A 72 -5.924 8.589 -0.973 1.00 0.00 H new ATOM 0 HA THR A 72 -3.314 7.960 0.294 1.00 0.00 H new ATOM 0 HB THR A 72 -3.793 8.818 2.305 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.775 8.197 3.378 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.656 10.439 2.535 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.784 10.668 1.001 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.360 9.842 1.013 1.00 0.00 H new ATOM 1044 N ILE A 73 -4.566 5.726 1.219 1.00 0.00 N ATOM 1045 CA ILE A 73 -5.106 4.335 1.207 1.00 0.00 C ATOM 1046 C ILE A 73 -4.923 3.708 2.590 1.00 0.00 C ATOM 1047 O ILE A 73 -4.130 4.164 3.390 1.00 0.00 O ATOM 1048 CB ILE A 73 -4.365 3.474 0.170 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -3.383 4.329 -0.641 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -5.381 2.839 -0.781 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -2.325 3.426 -1.275 1.00 0.00 C ATOM 0 H ILE A 73 -3.872 5.916 1.941 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.163 4.376 0.946 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.807 2.699 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.917 4.880 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.907 5.067 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.858 2.228 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.069 2.213 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.941 3.623 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.627 4.033 -1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.784 2.895 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.809 2.705 -1.934 1.00 0.00 H new ATOM 1063 N ASP A 74 -5.647 2.662 2.872 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.512 1.996 4.198 1.00 0.00 C ATOM 1065 C ASP A 74 -4.524 0.834 4.072 1.00 0.00 C ATOM 1066 O ASP A 74 -3.781 0.744 3.114 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.878 1.466 4.640 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.465 2.396 5.703 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -6.974 3.506 5.828 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.397 1.982 6.375 1.00 0.00 O ATOM 0 H ASP A 74 -6.327 2.238 2.241 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.147 2.709 4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.550 1.404 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.777 0.457 5.040 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.506 -0.058 5.024 1.00 0.00 N ATOM 1076 CA PHE A 75 -3.561 -1.207 4.940 1.00 0.00 C ATOM 1077 C PHE A 75 -4.234 -2.366 4.191 1.00 0.00 C ATOM 1078 O PHE A 75 -3.625 -3.383 3.924 1.00 0.00 O ATOM 1079 CB PHE A 75 -3.144 -1.634 6.363 1.00 0.00 C ATOM 1080 CG PHE A 75 -3.960 -2.819 6.841 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -5.335 -2.680 7.062 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -3.338 -4.054 7.057 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -6.088 -3.778 7.502 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -4.090 -5.151 7.496 1.00 0.00 C ATOM 1085 CZ PHE A 75 -5.464 -5.012 7.719 1.00 0.00 C ATOM 0 H PHE A 75 -5.101 -0.042 5.852 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.665 -0.916 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.085 -1.891 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.276 -0.798 7.050 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.816 -1.728 6.894 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.277 -4.161 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.149 -3.672 7.673 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.609 -6.104 7.662 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.044 -5.857 8.059 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.488 -2.220 3.856 1.00 0.00 N ATOM 1096 CA GLU A 76 -6.197 -3.310 3.130 1.00 0.00 C ATOM 1097 C GLU A 76 -5.977 -3.151 1.623 1.00 0.00 C ATOM 1098 O GLU A 76 -5.330 -3.964 0.993 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.693 -3.234 3.437 1.00 0.00 C ATOM 1100 CG GLU A 76 -7.894 -2.955 4.929 1.00 0.00 C ATOM 1101 CD GLU A 76 -9.390 -2.953 5.252 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -10.144 -3.517 4.475 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -9.756 -2.389 6.269 1.00 0.00 O ATOM 0 H GLU A 76 -6.051 -1.393 4.054 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.806 -4.275 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.158 -2.447 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.180 -4.170 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.384 -3.713 5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.453 -1.994 5.192 1.00 0.00 H new ATOM 1110 N GLU A 77 -6.513 -2.114 1.040 1.00 0.00 N ATOM 1111 CA GLU A 77 -6.333 -1.909 -0.426 1.00 0.00 C ATOM 1112 C GLU A 77 -4.841 -1.884 -0.762 1.00 0.00 C ATOM 1113 O GLU A 77 -4.368 -2.643 -1.584 1.00 0.00 O ATOM 1114 CB GLU A 77 -6.969 -0.579 -0.840 1.00 0.00 C ATOM 1115 CG GLU A 77 -8.492 -0.717 -0.843 1.00 0.00 C ATOM 1116 CD GLU A 77 -9.100 0.352 -1.753 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -8.366 0.900 -2.559 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -10.286 0.604 -1.628 1.00 0.00 O ATOM 0 H GLU A 77 -7.067 -1.401 1.514 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.813 -2.726 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.667 0.210 -0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.618 -0.289 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.777 -1.710 -1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.879 -0.610 0.170 1.00 0.00 H new ATOM 1125 N PHE A 78 -4.095 -1.017 -0.133 1.00 0.00 N ATOM 1126 CA PHE A 78 -2.635 -0.945 -0.418 1.00 0.00 C ATOM 1127 C PHE A 78 -2.043 -2.358 -0.389 1.00 0.00 C ATOM 1128 O PHE A 78 -1.097 -2.661 -1.089 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.953 -0.080 0.645 1.00 0.00 C ATOM 1130 CG PHE A 78 -0.453 -0.213 0.526 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.135 -0.442 -0.723 1.00 0.00 C ATOM 1132 CD2 PHE A 78 0.349 -0.107 1.669 1.00 0.00 C ATOM 1133 CE1 PHE A 78 1.526 -0.564 -0.830 1.00 0.00 C ATOM 1134 CE2 PHE A 78 1.740 -0.230 1.563 1.00 0.00 C ATOM 1135 CZ PHE A 78 2.328 -0.459 0.313 1.00 0.00 C ATOM 0 H PHE A 78 -4.434 -0.356 0.566 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.474 -0.504 -1.402 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.246 0.963 0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.277 -0.387 1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.484 -0.525 -1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.105 0.070 2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.980 -0.739 -1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.359 -0.148 2.445 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.401 -0.555 0.230 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.599 -3.226 0.411 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.073 -4.619 0.482 1.00 0.00 C ATOM 1147 C LEU A 79 -2.149 -5.264 -0.903 1.00 0.00 C ATOM 1148 O LEU A 79 -1.202 -5.862 -1.373 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.918 -5.430 1.466 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.037 -6.468 2.162 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.263 -5.802 3.301 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -2.921 -7.581 2.730 1.00 0.00 C ATOM 0 H LEU A 79 -3.395 -3.031 1.019 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.036 -4.600 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.371 -4.768 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.734 -5.925 0.939 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.333 -6.889 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.635 -6.543 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.636 -5.006 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.965 -5.382 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.297 -8.323 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.623 -7.157 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.474 -8.056 1.919 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.271 -5.150 -1.559 1.00 0.00 N ATOM 1165 CA VAL A 80 -3.409 -5.760 -2.912 1.00 0.00 C ATOM 1166 C VAL A 80 -2.355 -5.167 -3.852 1.00 0.00 C ATOM 1167 O VAL A 80 -1.986 -5.766 -4.844 1.00 0.00 O ATOM 1168 CB VAL A 80 -4.813 -5.478 -3.458 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -4.895 -4.037 -3.970 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -5.116 -6.443 -4.607 1.00 0.00 C ATOM 0 H VAL A 80 -4.098 -4.661 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.260 -6.838 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.542 -5.617 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.896 -3.845 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.683 -3.348 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.165 -3.892 -4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.114 -6.243 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.383 -6.305 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.067 -7.469 -4.243 1.00 0.00 H new ATOM 1180 N MET A 81 -1.867 -3.993 -3.550 1.00 0.00 N ATOM 1181 CA MET A 81 -0.839 -3.363 -4.428 1.00 0.00 C ATOM 1182 C MET A 81 0.541 -3.929 -4.089 1.00 0.00 C ATOM 1183 O MET A 81 1.412 -4.010 -4.932 1.00 0.00 O ATOM 1184 CB MET A 81 -0.837 -1.849 -4.206 1.00 0.00 C ATOM 1185 CG MET A 81 0.101 -1.188 -5.218 1.00 0.00 C ATOM 1186 SD MET A 81 -0.145 0.606 -5.185 1.00 0.00 S ATOM 1187 CE MET A 81 0.281 0.860 -3.444 1.00 0.00 C ATOM 0 H MET A 81 -2.136 -3.444 -2.734 1.00 0.00 H new ATOM 0 HA MET A 81 -1.073 -3.578 -5.471 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.846 -1.453 -4.317 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.514 -1.620 -3.191 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.137 -1.428 -4.981 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.095 -1.575 -6.218 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.791 1.817 -3.330 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.628 0.860 -2.843 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.937 0.057 -3.109 1.00 0.00 H new ATOM 1197 N MET A 82 0.750 -4.321 -2.862 1.00 0.00 N ATOM 1198 CA MET A 82 2.076 -4.880 -2.474 1.00 0.00 C ATOM 1199 C MET A 82 2.278 -6.235 -3.154 1.00 0.00 C ATOM 1200 O MET A 82 3.374 -6.589 -3.540 1.00 0.00 O ATOM 1201 CB MET A 82 2.128 -5.061 -0.955 1.00 0.00 C ATOM 1202 CG MET A 82 3.139 -4.082 -0.356 1.00 0.00 C ATOM 1203 SD MET A 82 3.813 -4.771 1.176 1.00 0.00 S ATOM 1204 CE MET A 82 4.686 -6.173 0.435 1.00 0.00 C ATOM 0 H MET A 82 0.060 -4.278 -2.112 1.00 0.00 H new ATOM 0 HA MET A 82 2.864 -4.195 -2.787 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.141 -4.890 -0.524 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.409 -6.085 -0.710 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.943 -3.893 -1.067 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.659 -3.124 -0.156 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.633 -6.327 0.953 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.074 -7.071 0.523 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.878 -5.967 -0.618 1.00 0.00 H new ATOM 1214 N VAL A 83 1.228 -6.996 -3.301 1.00 0.00 N ATOM 1215 CA VAL A 83 1.358 -8.331 -3.953 1.00 0.00 C ATOM 1216 C VAL A 83 1.566 -8.152 -5.458 1.00 0.00 C ATOM 1217 O VAL A 83 2.596 -8.502 -5.998 1.00 0.00 O ATOM 1218 CB VAL A 83 0.083 -9.140 -3.709 1.00 0.00 C ATOM 1219 CG1 VAL A 83 0.135 -10.431 -4.527 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.025 -9.485 -2.223 1.00 0.00 C ATOM 0 H VAL A 83 0.285 -6.751 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 83 2.214 -8.858 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.784 -8.552 -4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.773 -11.008 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.214 -10.187 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.002 -11.019 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.933 -10.062 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.842 -10.074 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.060 -8.566 -1.638 1.00 0.00 H new ATOM 1230 N ARG A 84 0.593 -7.612 -6.141 1.00 0.00 N ATOM 1231 CA ARG A 84 0.730 -7.413 -7.612 1.00 0.00 C ATOM 1232 C ARG A 84 2.128 -6.882 -7.931 1.00 0.00 C ATOM 1233 O ARG A 84 2.797 -7.364 -8.825 1.00 0.00 O ATOM 1234 CB ARG A 84 -0.319 -6.409 -8.091 1.00 0.00 C ATOM 1235 CG ARG A 84 -0.210 -6.240 -9.608 1.00 0.00 C ATOM 1236 CD ARG A 84 0.058 -4.771 -9.940 1.00 0.00 C ATOM 1237 NE ARG A 84 0.584 -4.662 -11.329 1.00 0.00 N ATOM 1238 CZ ARG A 84 -0.189 -4.227 -12.287 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -1.029 -5.038 -12.867 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -0.120 -2.980 -12.664 1.00 0.00 N ATOM 0 H ARG A 84 -0.292 -7.300 -5.743 1.00 0.00 H new ATOM 0 HA ARG A 84 0.581 -8.365 -8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.317 -6.755 -7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.171 -5.449 -7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.594 -6.864 -9.997 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.131 -6.570 -10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.860 -4.192 -9.841 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.776 -4.353 -9.234 1.00 0.00 H new ATOM 0 HE ARG A 84 1.548 -4.927 -11.532 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.083 -6.013 -12.572 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.633 -4.697 -13.615 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.538 -2.346 -12.210 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.724 -2.639 -13.412 1.00 0.00 H new ATOM 1254 N GLN A 85 2.576 -5.892 -7.210 1.00 0.00 N ATOM 1255 CA GLN A 85 3.931 -5.329 -7.473 1.00 0.00 C ATOM 1256 C GLN A 85 4.974 -6.114 -6.676 1.00 0.00 C ATOM 1257 O GLN A 85 5.775 -5.548 -5.957 1.00 0.00 O ATOM 1258 CB GLN A 85 3.965 -3.860 -7.047 1.00 0.00 C ATOM 1259 CG GLN A 85 3.767 -2.966 -8.274 1.00 0.00 C ATOM 1260 CD GLN A 85 3.238 -1.600 -7.831 1.00 0.00 C ATOM 1261 OE1 GLN A 85 2.393 -1.515 -6.962 1.00 0.00 O ATOM 1262 NE2 GLN A 85 3.701 -0.520 -8.398 1.00 0.00 N ATOM 0 H GLN A 85 2.062 -5.448 -6.449 1.00 0.00 H new ATOM 0 HA GLN A 85 4.154 -5.405 -8.537 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.183 -3.665 -6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.917 -3.632 -6.568 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.711 -2.847 -8.806 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.066 -3.432 -8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.410 -0.591 -9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.354 0.395 -8.112 1.00 0.00 H new